Density of states and wave function localization in disordered conjugated polymers: A large scale computational study

Journal of Physical Chemistry B

Volumn 115, Issue 8, 2011, Pages 1792-1797

  Vukmirović, Nenad ^a,b   Wang, Lin Wang ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF BELGRADE   (Serbia)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CONJUGATED POLYMERS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HAMILTONIANS;

COMPUTATIONAL STUDIES; COUPLING ELEMENT; DENSITY OF HOLES; DENSITY OF STATE; DIAGONALIZATIONS; ELECTROSTATIC POTENTIALS; HOLE STATE; LARGE-SCALE CALCULATION; NEAREST NEIGHBORS; ON-SITE ENERGY; POLYMER CHAINS; SINGLE-PARTICLE; TIGHT BINDING MODEL;

DENSITY FUNCTIONAL THEORY;

EID: 79951975401     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1114527     Document Type: Article

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